SCHEMBL2469575

SCHEMBL2469575

COC(=O)Oc1nc(-c2ccc(Cl)c(OC)c2Br)cc(N)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.34
PDCD1LG2 Q9BQ51 9/20 0.33
CD274 Q9NZQ7 9/20 0.33
ALPL P05186 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
NQO2 P16083 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
SCN9A Q15858 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2470407 0.91 PDCD1LG2 (0.38) SCN10APDCD1LG2CD274ALPLKDM4E
SCHEMBL2468807 0.89 MEP1B (0.36) SCN10APDCD1LG2CD274ALPLKDM4E
SCHEMBL2465876 0.87 ALOX5AP (0.37) PDCD1LG2CD274MAPK8MAPK9MAPK10
SCHEMBL2468381 0.84 ALOX5AP (0.47) PDCD1LG2CD274MAPK8MAPK9MAPK10
SCHEMBL2464679 0.83 ALPL (0.38) SCN10APDCD1LG2CD274ALPLKDM4E
SCHEMBL2469824 0.83 MAPK9 (0.40) PDCD1LG2CD274ALPLKDM4EMAPK8
SCHEMBL3327659 0.82 KDM4E (0.39) SCN10AALPLKDM4EALDH1A1HSD17B10
SCHEMBL2467890 0.82 PDCD1LG2 (0.39) PDCD1LG2CD274SCN9A
SCHEMBL2462838 0.81 PDCD1LG2 (0.36) SCN10APDCD1LG2CD274SCN9ASCN2A
SCHEMBL3841986 0.81 ALDH1A1 (0.40) SCN10AALPLKDM4EALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed